The energy and structure of (0 0 1) twist grain boundary in noble metals

The relaxed energy and structure of (0 0 1) twist grain boundary (GB) in noble metals Au, Ag and Cu are simulated by the MAEAM. In-boundary translation between two adjacent grains results in a periodic energy variation and the period is a square with the side length L_Σ/Σ. The lowest energy appears when the two grains are translated relatively to either corner or center of the periodic square. The relaxed GB energy increases smoothly for low-angle boundaries and levels off for larger-angle boundaries except a cusp appeared at θ = 36.87° (Σ = 5). After relaxation, the symmetry of the GB structure is not changed but the displacement of the atoms parallel to the GB plane decreases with increasing the distance of the atoms from the GB plane.     

Spin tunneling properties in mesoscopic magnets: effects of a magnetic field

The tunneling of a giant spin at excited levels is studied theoretically in mesoscopic magnets with a magnetic field at an arbitrary angle in the easy plane. Different structures of the tunneling barriers can be generated by the magnetocrystalline anisotropy, the magnitude and the orientation of the field. By calculating the nonvacuum instanton solution explicitly, we obtain the tunnel splittings and the tunneling rates for different angle ranges of the external magnetic field ( θ _H = π/2 and π/2 < θ _H < π). The temperature dependences of the decay rates are clearly shown for each case. It is found that the tunneling rate and the crossover temperature depend on the orientation of the external magnetic field. This feature can be tested with the use of existing experimental techniques. Received 12 March 2001 and Received in final form 18 October 2001     

Non-equilibrium grain boundary cosegregation of Mo and P

The segregation of P at grain boundaries is believed to be an important cause of temper embrittlement in steels. As an alloy element, Mo may reduce the embrittlement. However, the concentration measured by Auger electron spectroscopy at the grain boundary in 2.25Cr1MoV and 12Cr1MoV showed that the concentration of P increased with that of Mo, which indicates that Mo and P cosegregated to the grain boundary in Cr-Mo steels.     

Impedance spectroscopic studies of planetary ball-milled lithium titanium phosphate material

The ac electrical conductivity properties of LiTi₂(PO₄)₃ (LTP) polycrystalline material in two different crystallite sizes are compared. Micrometer sized LTP is prepared by conventional solid-state reaction. LTP crystallites of 71 nm size are prepared by solid-state reaction of 40 h planetary milled stoichiometric mixture. The XRD and SEM are used as characterization techniques. Electrical properties are studied using impedance spectroscopic technique. Ball-milled LTP shows one order increase in grain-interior conduction compared to microcrystalline LTP at 388 K. The increase in conduction results from decreased crystallite size.     

Formation of mismatched layers in pentagonal nanorods

A new mechanism is presented to model the relaxation phenomena in pentagonal nanorods (PNRs) – elongated multiple twinned crystals. It is demonstrated that a shell possessing crystal mismatch with respect to the PNR core region will reduce the internal energy of the PNR associated with wedge disclinations of strength 7°20′ lying along the PNR axis. We predict the existence of an optimal magnitude for core/shell crystal lattice mismatch and an optimal shell thickness providing maximum energy release for this mechanism of mechanical stress relaxation. The considered relaxation mechanism can be realized by the diffusion of impurities in the shell region without change of the PNR radius or by growth of a thin mismatched shell layer with the corresponding thickening of PNR. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

The periodicity in translation of Ag (0 0 1) and (1 1 0) twist grain boundary

The energies of Ag (0 0 1) and (1 1 0) twist grain boundary (GB) in translation have been calculated with the modified analytical embedded atom method (MAEAM). The energy period corresponds exactly to the DSC lattice unit cell and the area of the energy period referred to the CSL unit cell is 1/Σ². The ‘energy grooves’ are parallel to the sides of the CSL or DSC lattice unit cell. The most preferable sliding direction is parallel to identical sides of the square CSL unit cell for (0 0 1) boundaries and to the short side of the rectangular CSL unit cell for (1 1 0) boundaries. From energy minimization, the stable configuration appears when two adjacent grains are translated relatively to the corners, centre or sides’ midpoint of the DSC lattice unit cell.     

Interaction of Point Defects with Twin Boundaries in Copper

The interaction between small vacancy clusters and twin boundaries in copper is studied by using many-body potential developed by Ackland et aL for fcc metals. The interaction energies of single-, di- and tri-vacancy clusters with （111） and （112） twin boundaries are computed using well established simulation techniques. For （111） twins the vacancy clusters are highly repelled when they are on the adjacent planes, and are attracted when they are away from the boundary. In the case of （112） twins, vacancy clusters are more attracted to the boundary when they are near the boundary as compared to away from it. Vacancy clusters on both the sides of the boundary are also investigated, and it is observed that the clusters energetically prefer to lie on the off-mirror sites as compared to the mirror position across the twin.     

Undulation instability in two-dimensional foams of magnetic fluid

Two-dimensional magnetic fluid foams are cellular structures whose framework is made of magnetic fluid. The features of these equilibrated patterns are driven by a control parameter: the amplitude of the applied magnetic field. When the latter is rapidly increased, an instability occurs: the walls between cells undulate. Such an instability has also been observed in other 2D cellular structures, which exist for instance in Langmuir monolayers or in magnetic garnets thin films. In this paper we give a theoretical analysis of this instability, the issues of which are shown to be well confirmed by experiments and numerical simulations. Received: 13 October 1997 / Received in final form: 28 January 1998 / Accepted: 9 March 1998     

Monte Carlo simulation and optical transmission studies of lattice-tunable column arrays composed of ferrofluids

The aggregation and rearrangement of nanoparticles embedded in a thin cell of ferrofluid at various applied magnetic fields was studied by Monte Carlo simulation. Regular microcolumns with the axis parallel to the magnetic field were observed with column size and spacing depending on the ramp speed of the applied field. Our model successfully simulated the reported experimental results that the column size decreases as the ramp speed increases, which is attributed to the diminishing time to achieve the final assembled state at a given final magnetic field. Column arrays of tunable lattice constants characterizing various spectroscopic dispersions are elucidated. The hexagonal structure of the aggregation of magnetic nanoparticles and optical dispersion were observed through an optical microscope. The transmission diffraction spectra depending on column spacings and sizes of the column array are simulated to yield results comparable to the experiment.     

Microwave specific loss power of magnetic fluids subjected to a static magnetic field

This paper reports on the frequency dependence of the magnetic and electric power dissipation in a magnetic fluid sample, in the microwave frequency range (0.5 to 8GHz), at various values of the static magnetic field (0 to 167.8kA/m). The computation of the power dissipation relies on the experimental values measured for the complex dielectric permittivity, ɛ = ɛ′ - iɛ″, and the complex magnetic permeability, μ = μ′ - iμ″, over the same frequency range. The results show that the magnetic power dissipation is much larger than the electric one for the investigated sample. At a specific frequency, f (Hz) , the power dissipation, p, depends on the external magnetic field, and exhibits a maximum. The result obtained suggests the possibility of controlling the energy absorption in the microwave range by means of the application of an external magnetic field.